| SpectraBase Compound ID | ErLmOyZX7Mp |
|---|---|
| InChI | InChI=1S/C29H44O5/c1-19(2)10-8-14-28(5)15-9-11-24-23(28)13-12-20(3)29(24,6)17-25(34-21(4)30)22(26-18-33-26)16-27(31)32-7/h11,16,20,23,25-26H,1,8-10,12-15,17-18H2,2-7H3/b22-16-/t20-,23+,25-,26?,28+,29+/m1/s1 |
| InChIKey | BULFLYNTUQDTCY-MMCREVDLSA-N |
| Mol Weight | 472.7 g/mol |
| Molecular Formula | C29H44O5 |
| Exact Mass | 472.318875 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LilRreSVV3V |
|---|---|
| Name | Cladocoran A Methyl Ester |
| Alternate Name(s) | (Z,4R)-4-acetyloxy-5-[(1S,2R,4aR,5S)-1,2,5-trimethyl-5-(4-methylpent-4-enyl)-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]-3-(2-oxiranyl)-2-pentenoic acid methyl ester Methyl (Z,4R)-4-acetoxy-5-[(1S,2R,4aR,5S)-1,2,5-trimethyl-5-(4-methylpent-4-enyl)-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]-3-(oxiran-2-yl)pent-2-enoate Methyl (Z,4R)-4-acetyloxy-5-[(1S,2R,4aR,5S)-1,2,5-trimethyl-5-(4-methylpent-4-enyl)-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]-3-(oxiran-2-yl)pent-2-enoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H44O5 |
| InChI | InChI=1S/C29H44O5/c1-19(2)10-8-14-28(5)15-9-11-24-23(28)13-12-20(3)29(24,6)17-25(34-21(4)30)22(26-18-33-26)16-27(31)32-7/h11,16,20,23,25-26H,1,8-10,12-15,17-18H2,2-7H3/b22-16-/t20-,23+,25-,26?,28+,29+/m1/s1 |
| InChIKey | BULFLYNTUQDTCY-MMCREVDLSA-N |
| Molecular Weight | 472.666 g/mol |
| SMILES | C1=2[C@@](C[C@](\C(C3OC3)=C\C(=O)OC)(OC(=O)C)[H])([C@](C)(CC[C@@]1([C@](CCCC(=C)C)(C)CCC2)[H])[H])C |
| SPLASH | splash10-08fr-0093000000-6950a668d5b27fcd030b |
| Source of Spectrum | J-63-2849-3 |
| Wiley ID | 1393459 |